People

Orlando Acevedo P

Florida International University (B.S.); Duquesne University (Ph.D.)

Professor of Chemistry & Director of Graduate Studies, University of Miami

Birgit (Biggi) Albrecht P

University of Surrey, UK (MChem); University of Oxford (Ph.D.)

Associate Professor of Chemistry and Chair, Department of Chemistry and Biochemistry, Loyola University Maryland

Anastassia Alexandrova P

Saratov State University, Russia (B.S./M.S.); Utah State University (Ph.D.)

Charles W. Clifford Jr. Professor of Chemistry and Biochemistry, UCLA

Oladapo M. Babatunde U

Yale University (B.S.)

Orthopaedic Surgeon; Medical Director, City Orthopaedics & Sports Medicine (Yale B.S.)

Gabriela Barreiro P

Universidade Federal do Rio de Janeiro, Brazil (M.S.; Ph.D.)

Head of Drug Discovery Unit, Eurofarma Laboratorios (Sao Paulo, Brazil)

Rohit Batra V

University of Basel, Switzerland

Graduate student, Institute for Organic Chemistry, University of Basel

Mattia Bernetti V

Alma Mater Studiorum Universita di Bologna, Italy

Fixed-term Researcher (RTD-B), Pharmaceutical Chemistry, University of Urbino, Italy

Bernard Bigot V

In memoriam · 2022

Professor of the French Universities, Chairman and Chief Executive Officer of the Alternative Energies and Atomic Energy Commission (CEA)

Director-General of ITER (2015–2022); Chairman & CEO of CEA; Professor, École normale supérieure

Marina Udier Blagovic G

Yale University (Ph.D.)

CEO and Board Director, Nouscom AG

Jim Blake G

Purdue University (Ph.D.)

SVP, Computational Drug Discovery, OnKure Therapeutics

Mariela Bollini P

Universidad de Buenos Aires, Argentina (Ph.D.)

Independent Researcher, CONICET; Head of Medicinal Chemistry, CIBION (Buenos Aires); Professor at ITBA

Luciene Borges V

Postdoc with Professor Ribeirao Preto

Researcher in Chemistry (Monte Carlo/ab initio), FFCLRP, Universidade de Sao Paulo (Ribeirao Preto)

Stéphane Boudon V

Purdue University

Managing Director, Cycle Group (Luxembourg)

Jim Briggs G

Purdue University (Ph.D.)

Professor of Biology & Biochemistry and Senior Vice Provost for Faculty Affairs, University of Houston

J. Kathleen Buckner G

Purdue University (Ph.D.)

Mark Bures G

Purdue University (Ph.D.)

Self-employed Molecular Modeling & Computational Chemistry Consultant

Heather Carlson G

Yale University (Ph.D.)

VP, Chemical Data Sciences, Odyssey Therapeutics

Zachary Carter G

Vanderbilt University (B.S.)

Postdoctoral scientist (biophysics/biochemistry), New England Biolabs

Leyla Celik P

Aarhus University (BSc, MSc, & Ph.D.)

Researcher, BioNTech, Mainz, Germany (per ResearchGate; not fully confirmed)

Jayaraman Chandrasekhar

Indian Institute of Technology

Principal/Senior Research Scientist, Gilead Sciences (Seattle)

Ben Chittick G

University of Colorado, Boulder (B.S.)

Research Scientist, Vertex Pharmaceuticals

Theodore (Ted) Christakis U

Yale University (B.S.)

General Ophthalmologist, Michael Garron Hospital (Toronto East Health Network)

Daniel Cole P

University of Cambridge, UK (Ph.D.)

Reader / UKRI Future Leaders Fellow in Computational Chemistry, Newcastle University (UK)

Zoe Cournia P

National University of Athens (Dipl. Chem.); Ruperto-Carola University of Heidelberg (Ph.D.)

Research Director and Vice President of the Scientific Board, Biomedical Research Foundation of the Academy of Athens (BRFAA)

Michael Cournoyer G

Purdue University (Ph.D.)

Los Alamos National Laboratory

Kara Cutrona G·P

Yale University (Ph. D.)

Postdoctoral Associate, Department of Chemistry, Yale University

Markus K. Dahlgren P

Umea University, Sweden (Ph.D.)

Senior Principal Scientist (Computational Chemistry), Schrodinger, LLC

Wolfgang Damm P

University of Basel (Ph.D.)

Senior Principal Materials Scientist, Schrodinger

Thomas Dawson P

University of Virginia (Ph.D.)

Patent Agent, Morrison & Foerster LLP (life sciences / IP)

Laura Thomas DeFeo G

Duquesne University (B.S.); Yale University (Ph.D.)

Founder & Integrative Health Coach, Illumine & Align Integrative Health Coaching

Luca Deiana P

Stockholm University, Sweden (Ph.D.)

Scientific Researcher, XP Chemistries AB (Sweden); affiliated Mid Sweden University

Leela Dodda G

National Institute of Science Education and Research, Bhubaneswar, India (Int. M.S.)

Director, Computational Chemistry, Nimbus Therapeutics

Erin M. Duffy G

Yale University (Ph.D.)

Senior Program Officer, Drug Discovery — Global Health, Bill & Melinda Gates Foundation

Pawel Dziedzic P

Stockholm University, Sweden (Ph.D.)

Research Scientist, RISE (Research Institutes of Sweden)

Anil R. Ekkati P

Michigan Technological University (Ph.D.)

Associate Principal Scientist, Veranova

Jonathan Essex P

Oxford University (Ph.D.)

Professor of Computational Systems Chemistry, University of Southampton

Jeffrey D. Evanseck U

University of California, Los Angeles (Ph.D.)

Professor of Chemistry (John V. Crable Chair), Duquesne University

Margarita Valhondo Falcón P

Nuclear Magnetic Resonance Technician, Institute of Science and Technology Austria (ISTA)

John Faver P

University of Florida (Ph.D.)

Computational chemist (drug discovery)

Jan Fleischer G

Yale University (Ph.D.)

Senior Lecturer in Chemistry, Indiana University Southeast

Antonio Frontera P

University of Balearic Islands (Ph.D.)

Full Professor of Organic Chemistry, Universitat de les Illes Balears (Spain)

Simone Fulle V

Goethe-University of Frankfurt (Ph.D.)

Head of Computer-Aided Drug Design (CADD), Novartis (Basel, Switzerland)

Ricardo Gallardo-Macias G

Morelos State University, Mexico (B.S.); California State University, Long Beach (M.S.); Yale University (Ph.D.)

Principal Scientist, Institute for Therapeutics Discovery & Development / Dept. of Medicinal Chemistry, University of Minnesota

Sunil Gandavadi P

Vice President, API & CDMO (Peptides/Oligonucleotides), Granules India Limited

Daqing Gao G

Yale, (M.Sc.); Boston College, (Ph.D)

Assistant Professor, Central State University (Wilberforce, OH)

Jiali Gao G

Purdue University (Ph.D.)

Professor of Chemistry, University of Minnesota

Mohammad M. Ghahremanpour P

Uppsala University, Sweden (Ph.D.)

Senior Scientist, Pfizer

Sheena Sinclair Giraud G

Yale Univ (Ph.D.)

Product Stewardship / Regulatory, DuPont

Scott Goethe P

University of Pittsburgh (Ph.D.)

Senior Scientist, PTC Therapeutics

Cristiano Guimarães P

Universidade Federal do Rio de Janeiro, Brazil (M.S.; Ph.D.)

CSO & Co-Founder, Nintx (Brazil)

Alan Gushurst G

Purdue University (Ph.D.)

Molecular Design Ltd.

Jan Haak V

Michelle Lynn Hall P

Columbia University (Ph.D.)

Co-Founder & General Partner, Entrée Bio (Entrée Capital)

Hannes Harbrecht V

University of Cambridge (M.Phil.); University of Oxford (M.Sc.)

Researcher, Buchwald Group, MIT (Chemistry)

Alissa Hare G

Calvin College (B.S.); Yale University (Ph.D.)

Senior Lecturer in Chemistry, Vanderbilt University

Harold Helson G

Purdue University (Ph.D.)

CambridgeSoft Inc., Senior Computational Chemist

Sean Henry P

University of Michigan, Ann Arbor (Ph.D.)

Synthetic medicinal chemist, Southern Research (Birmingham, AL)

Willem P. van Hoorn P

University of Twente, Enschede, the Netherlands (Ph.D.)

Independent consultant, 20Questions Ltd (co-founder of Exscientia)

William DeWitt Horrocks, Jr. V

MIT, Ph.D.

Professor Emeritus of Chemistry, Pennsylvania State University

Iordanis Houdaverdis G

Yale University (Ph.D.)

Derrick Howard U

Yale University 2003, B.Sc.

American Express

Roland Huber V

University of Innsbruck (Ph.D.)

Principal Investigator, Bioinformatics Institute, A*STAR (Singapore)

Joseph Ippolito A

University of Pennsylvania (Ph.D.)

Gilead Sciences

Nunzio Iraci V

Universit di Messina

Associate Professor of Medicinal Chemistry, University of Messina (Italy)

Corky Jenson G

In memoriam

Yale University (M.S.)

Hongyu Jiang G

Yale University (M.Sc.); Peking University, Beijing (B.S.)

Debbie K. Jones-Hertzog P

Emory University (Ph.D.)

Chief Information Officer & Chief Privacy Officer, Catalyst Clinical Research

Arshad Kahn V

Pennsylvania State University, DuBois

Professor Emeritus of Chemistry, Penn State DuBois

George Kaminski G

Yale University (Ph.D.)

Professor of Chemistry, Worcester Polytechnic Institute

Kasper Planeta Jensen Kepp P

Lund University (Ph.D.)

Professor, Department of Chemistry, Technical University of Denmark (DTU)

Hag-Sung Kim V

Kyungpook National University (Ph.D.); Work: Ulsan College, Korea

Faculty, Department of Environmental & Chemical Industry, Ulsan College (Korea)

Joseph T. Kim P

University of Illinois at Chicago (Ph.D.)

Senior Research Investigator, SANOFI

Jakub Kostal G

Middlebury College (B.S.); Yale University (Ph.D.)

Associate Professor of Chemistry, George Washington University; co-founder, DOT Consulting (ToxFix)

Sara Kramar V

UCL School of Pharmacy, London, UK (Ph.D.)

Global Clinical Development Operations, Parexel

Stefan Krimmer P

University of Marburg, Germany (Ph.D.)

Principal Scientist, Novo Nordisk

Ingvar Lagerstedt P

Chalmers University of Technology, Gothenburg, Sweden (Ph.D)

Senior Software Engineer, NextMove Software (cheminformatics)

Ellen Laird G

Purdue University (Ph.D.)

Senior Research Fellow, Pfizer Boulder R&D (retired)

Michelle Lamb G

Yale University (Ph.D.)

Director / Computational Medicinal Chemist, AstraZeneca (Boston, R&D Oncology)

Valeria LaPietra V

PostDoctoral fellow at the University of Naples Federico II

Researcher in Medicinal Chemistry, University of Naples Federico II (Dept. of Pharmacy)

Patrick S. Lee P

UCLA (Ph.D.)

Vice President, CSO Partner Team, Curie.Bio

Won-Gil Lee P

Gwangju Institute of Science and Technology, South Korea (Ph.D.)

Senior Scientist, Genosco Inc., New Haven

Cheryl Leung G

University of California, Berkeley (B.S.); Yale University (Ph.D.)

Senior Process Improvement Specialist, San Francisco State University

Siegfried Leung G

University of San Francisco (B.S.); Yale University (Ph.D.)

Principal Scientist, Circle Pharma

Dongchul Lim G·P

Seoul National Univ.(BS), Yale Univ (Ph.D.)

Manager, LG Life Sciences (Korea)

Maria-Elena Liosi G·P

University of Athens, Greece (M.S.)

Senior Scientist, Discovery Chemistry, Merck

Rong Liu G

Yale University (Ph.D.)

Oracle DBA, Capgemini

Huan Lu G

University of Science and Technology of China (B.S.); Yale University (M.S.)

James Luccarelli U

Yale University (B.S.,M.S.); University of Oxford (D.Phil.)

Psychiatrist, Massachusetts General Hospital; Instructor in Psychiatry, Harvard Medical School

Theresa Lyons G

Hobart and William Smith Colleges (B.S.); St. John's University (M.S.); Yale University (Ph.D.)

Founder & CEO, Navigating AWEtism

Jeffry Madura G

In memoriam · 2017

Purdue University (Ph.D.)

Professor of Chemistry, Duquesne University

Michael Mahoney G

Yale University (Ph.D.)

Professor, Dept. of Statistics & ICSI, UC Berkeley; Group Lead, LBNL Machine Learning & Analytics

Fenglou Mao P

Peking University (Ph.D.)

Program Officer, National Institutes of Health (NIH)

Tooru Matsui V

Matsushita, Osaka, Japan

Dave Maxwell G

Yale University (Ph.D.)

Principal Data Scientist, UT MD Anderson Cancer Center

Nora McDonald G

Yale University (Ph.D.)

Global Studies Leader, Hoffmann-La Roche

David McLaughlin G

Kodak Inc.

Pascal Metivier P

Rhodia Asia Pacific, Vice President R&D director

Executive Vice President, Science & Technology Director, Solvay

Julien Michel P

ENSCL, France (MChem); University of Southampton, UK (Ph.D.)

Professor of Biomolecular Simulation, University of Edinburgh

Ana S. Newton P·A

Universidade de Lisboa, Portugal (Ph.D.)

Website ↗

Toan Nguyen G

Yale University (Ph.D.)

Computational Chemist, Zola Therapeutics

Haichan Niu P

Baylor University (Ph.D.)

Principal Medicinal Chemist, Proxima

Rene Olivarez

Yale University

Senior Manager, Clinical Partnerships, Lindus Health

Modesto Orozco V

Institute for Research in Biomedicine & Universitat de Barcelona, Spain; Program Director and Professor of Biochemistry

Website ↗

Dennis Ostrovsky G

University of Toronto (M.Sc.); Yale University (Ph.D.)

Patent Attorney, Saul Ewing LLP

Genevieve D. Paderes G·P

Purdue University (Ph.D.)

Senior Principal Scientist, Pfizer (retired)

J. W. Park

Professor, Ewha Womans University, Seoul, Korea

Shoshanna Pearlman G

Swarthmore College, B.Sc.; Yale University, M.Sc.

Psychiatric Nurse Practitioner (DNP, PMHNP-BC), New York

Catherine Peishoff G

Purdue University (Ph.D.)

Vice President, Chemical Sciences, GSK

Vincent Peuch V

Graduate Student, Ecole Normale Superieure de Lyon, France

Head of ECMWF Bonn site & Director for ECMWF Engagement with the EU

Albert Pierce G

In memoriam

Yale University (Ph.D.)

Vertex Pharmaceuticals

Julianto Pranata P

CalTech

Researcher, Department of Chemistry, Oberlin College

Melissa L. Price (Plount) G

Yale University (Ph.D.)

SVP, Development Program Leadership, Bicycle Therapeutics

Dan Price G

Yale University (Ph.D.)

Vice President, Computational Chemistry & Structural Biology, Nimbus Therapeutics

Yue Qian G

Fudan University, China (B.S.); The University of Hong Kong (M.Phil.)

VP & Head of MARS (Multi-Modal AI-Rooted Solutions), Viva Biotech

Paul R. Rablen P

Yale University (Ph.D.)

Edmund Allen Professor of Chemistry, Swarthmore College

Krishna Ravindranathan P

Rutgers University (Ph.D.)

Founder & CEO, Mind Pharmaceuticals

Abdel Rawashdeh V

Missouri University of Science and Technology (Ph.D.)

Associate Professor of Chemistry & Vice Dean of Scientific Research, Yarmouk University, Jordan

Matthew Repasky G

University of Miami, B.Sc.; Yale University, Ph.D.

Vice President, Life Sciences Products, Schrödinger

Miriam Richardson U

Purdue University (B.S.)

Robert Rizzo G

Yale University (Ph.D)

Professor, Dept. of Applied Mathematics & Statistics / Laufer Center, Stony Brook University

Michael Robertson G

University of Michigan (B.S.)

Assistant Professor of Biochemistry & Molecular Pharmacology, Baylor College of Medicine

Matthew Robinson U

Yale University, Class of 2018

Co-founder & CTO, PostEra

Juliana Ruiz-Caro P

Univ. Complutense de Madrid (Ph.D.)

Max-Planck-Institut, Mülheim an der Ruhr (Postdoc)

Anastasia Saar G

Wesleyan University (B.S.)

Scientist, Computer-Aided Drug Discovery, Sanofi

Timothy Salatin G

Purdue University

Retired Technical Director, Coatings, BASF

Kurt W. Sattelmeyer P

University of Georgia (Ph.D.)

Patric Schyman P

Director, Head of In Silico Drug Discovery, Eikon Therapeutics

Massimo Selmi V

Graduate Student, Italy

Dan Severance G·P

Purdue University (Ph.D.)

Scientific Fellow, Schrödinger Inc.

Wendy Shaffer U

Yale University (B.S.)

Graduate Student, UC Berkeley

Shane Shariffskul U

Yale University (B.S.)

Senior Manager II, Walmart

Hannah Simpson P

Purdue University (Ph.D.)

Postdoctoral Associate, Department of Chemistry, Yale University

Marilyn Kroeger Smith

University of Nebraska–Lincoln (Ph.D.)

Associate Professor of Chemistry Emerita, McDaniel College

Rick Smith

In memoriam · 2023

University of Virginia (Ph.D.)

Professor Emeritus of Chemistry, McDaniel College

David Spellmeyer U

Purdue University (B.S.), UCLA (Ph.D.)

Retired

David Steinberg U

Yale University

Todd Sullivan P

Assistant Teaching Professor, Sacred Heart University

Carol Swenson G

Purdue University (Ph.D.)

Sara Nichols Swift G

New York University (B.A.); Yale University (Ph.D.)

Director, Computational Drug Design, Vertex Pharmaceuticals

John Terhorst G

University of Redlands (B.S.); Yale University (Ph.D.)

Instructional Faculty (Chemistry), Oregon State University

Vinay Thakur P

National Chemical Laboratory, Pune, India (Ph.D.)

Senior Manager, Intellectual Property, University of Connecticut

Cristina Tintori V

Research Associate, University of Siena

Researcher in Medicinal Chemistry, University of Siena

Yukio Tominaga P

Osaka University (Ph.D.)

Dainippon Pharmaceutical (now Sumitomo Pharma), Japan

Jose Cisneros Trigo P·A

Universidad Complutense de Madrid, Spain (Ph.D.)

Researcher, CeMM Research Center for Molecular Medicine, Vienna

Vinay Trivedi-Parmar G

Skidmore College (B.A.)

Patent attorney / Associate (Technical Specialist), Lathrop GPM

Alex Trofimov P

Syktyvkar State Univerisity, Russia (B.S.); University of Illinois at Chicago (Ph.D.)

Vickie Tsui U

The Scripps Research Institute

Computational Chemist, Discovery Chemistry, Genentech

Ivan Tubert-Brohman G

Yale University (Ph.D.)

Senior Staff Developer, Schrodinger

Aysegul Turupcu

University of Natural Resources and Life Sciences, Vienna, Austria (Ph.D.)

Manager, Computer Vision & Manufacturing Analytics Unit, KocDigital

Jakob Ulmschneider G

Yale University (Ph.D.)

Professor, Institute of Natural Sciences, Shanghai Jiao Tong University

Israel Cabeza de Vaca P

Barcelona Supercomputing Center - Universitat Politecnica de Catalunya (Ph.D.)

Postdoctoral researcher, Uppsala University (Dept. of Cell and Molecular Biology)

Frank van Veggel V

University of Twente, The Netherlands (Ph.D.)

Professor of Chemistry, University of Victoria

Jonah Z Vilseck G

Auburn University, AL (B.S.)

Assistant Professor of Biochemistry, Molecular Biology & Pharmacology, Indiana University School of Medicine

Connie Wang U

Yale University (B.S.)

Deping Wang P

Hong Kong University of Science and Technology (Ph.D.)

Principal Scientist, Merck

Edward Watkins P

Pennsylvania State University (Ph.D.)

Principal, Lavoisier Legacy, LLC

Steve S. Wesolowski P

University of Georgia (Ph.D.)

Vice President, Computational Science and Artificial Intelligence, Xenon Pharmaceuticals

Xin Cindy Yan G

Fudan University, China (B.S.)

Research Scientist, Drug Discovery, Merck Research Laboratories

Zheren (James) Yang U

Yale University (B.S.)

Weiya Yun G

Hoffmann-La Roche, Inc., Senior Principal Scientist

Senior Principal Scientist, Hoffmann-La Roche

Jaco Zeevaart P

Director, Research and Innovation, Wild Flavors Inc.

Director, Taste and Olfaction Research, The Coca-Cola Company

Chunhui Zhang P

Sichuan University, China (Ph.D.)

William L. Jorgensen

Career and education

Honors

The group through the years.

Former members.